[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

C11H11N5OS — CID 121020982

IUPAC[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C11H11N5OS/c17-10(9-6-18-7-14-9)16-4-8(5-16)15-11-12-2-1-3-13-11/h1-3,6-8H,4-5H2,(H,12,13,15)
InChIKeyVTGABXBTZYFMGS-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.87
Rot. Bonds3

About [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 121020982) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID121020982
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C11H11N5OS/c17-10(9-6-18-7-14-9)16-4-8(5-16)15-11-12-2-1-3-13-11/h1-3,6-8H,4-5H2,(H,12,13,15)
InChIKeyVTGABXBTZYFMGS-UHFFFAOYSA-N
XLogP0.87
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
[(3aR,6aS)-2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97386153
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121020964
[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 73439865

Frequently Asked Questions

What is the IUPAC name of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 121020982) is [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC(Nc2ncccn2)C1.
What is the InChIKey of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is VTGABXBTZYFMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c17-10(9-6-18-7-14-9)16-4-8(5-16)15-11-12-2-1-3-13-11/h1-3,6-8H,4-5H2,(H,12,13,15).
What are the key properties of [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 261.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 121020982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).